Name: Methyl 2-({2-[4-(2-tert-butoxy-2-oxoethoxy)phenyl]ethyl}thio)benzoate
SMILES:
COC(=O)c1ccccc1SCCc1ccc(OCC(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C22H26O5S
Molecular weight
402.51
Exact mass
402.1501
XLogP
4.53
TPSA
61.83
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
109.99
Supplementary Information
Details werden geladen…
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